Found 9 hits Enz. Inhib. hit(s) with Target = 'Polyunsaturated fatty acid 5-lipoxygenase' and Ligand = 'BDBM50038649' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina
Curated by ChEMBL
| Assay Description Inhibition of 5-LOX (unknown origin) by ELISA |
Bioorg Med Chem Lett 24: 317-24 (2013)
Article DOI: 10.1016/j.bmcl.2013.11.015 BindingDB Entry DOI: 10.7270/Q2BK1DTP |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incubated 10 mins before substrate addition by fluorescence spectrophotom... |
J Med Chem 55: 2597-605 (2012)
Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories
Curated by ChEMBL
| Assay Description Inhibition constant against arachidonate 5-lipoxygenase |
J Med Chem 48: 6523-43 (2005)
Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merckle GmbH
Curated by ChEMBL
| Assay Description Inhibition of human 5-lipoxygenase in human cells |
J Med Chem 37: 1894-7 (1994)
BindingDB Entry DOI: 10.7270/Q2MC8Z2H |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Bhupat and Jyoti Mehta School of Biosciences
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL21 assessed as decrease in 5-HPETE production preincubated with enzyme followed... |
Eur J Med Chem 124: 428-434 (2016)
Article DOI: 10.1016/j.ejmech.2016.08.066 BindingDB Entry DOI: 10.7270/Q2639RRW |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of 5-LOX (unknown origin) using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition and measured after 10... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112066 BindingDB Entry DOI: 10.7270/Q29C722K |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Rattus norvegicus) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Peking University
Curated by ChEMBL
| Assay Description Inhibition of 5-LOX in rat RBL1 cells assessed as reduction in LTB4 production |
J Med Chem 55: 2597-605 (2012)
Article DOI: 10.1021/jm201497k BindingDB Entry DOI: 10.7270/Q20P115J |
More data for this Ligand-Target Pair | |
Polyunsaturated fatty acid 5-lipoxygenase
(Homo sapiens (Human)) | BDBM50038649
![PNG](/data/jpeg/tenK5003/BindingDB_50038649.png) (2-(6-(4-chlorophenyl)-2,2-dimethyl-7-phenyl-2,3-di...)Show SMILES CC1(C)Cc2c(c(c(CC(O)=O)n2C1)-c1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22ClNO2/c1-23(2)13-19-22(15-6-4-3-5-7-15)21(16-8-10-17(24)11-9-16)18(12-20(26)27)25(19)14-23/h3-11H,12-14H2,1-2H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet ![](/images/AffyNet_logo.png)
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |